SCHEMBL7820002

SCHEMBL7820002

CCCCCCCCN(C)C(=O)C=Cc1cc(C)c(NCS(=O)(=O)c2ccc(OC)cc2)c(C(=O)NO)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
MMP13 P45452 12/20 0.40
MMP9 P14780 12/20 0.40
MMP1 P03956 11/20 0.40
ADAM17 P78536 7/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP12 P39900 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP2 P08253 1/20 0.37
CA9 Q16790 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7572045 0.92 PTGS2 (0.41) PTGS2MMP13MMP9MMP1ADAM17
SCHEMBL7820104 0.87 MMP13 (0.45) PTGS2MMP13MMP9MMP1ADAM17
SCHEMBL7316088 0.87 MMP13 (0.45) PTGS2MMP13MMP9MMP1ADAM17
SCHEMBL7453436 0.85 MMP13 (0.58) MMP13MMP9MMP1ADAM17
SCHEMBL7312722 0.85 MMP13 (0.58) MMP13MMP9MMP1ADAM17
SCHEMBL7830182 0.83 TRPM8 (0.48) MMP13MMP9MMP1ADAM17MMP12
SCHEMBL7825679 0.83 MMP13 (0.44) MMP13MMP9MMP1ADAM17MMP3
SCHEMBL7820004 0.83 TAS1R3 (0.43) PTGS2MMP13MMP9MMP1ADAM17
SCHEMBL7322130 0.80 MMP13 (0.47) MMP13MMP9MMP1ADAM17MMP3
SCHEMBL7453309 0.80 MEN1 (0.44) PTGS2MMP13MMP9MMP1ADAM17

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938471-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID CO (US) 2001-12-12 EP claimed